| SpectraBase Spectrum ID |
2CLczKfmaTX |
| Name |
1H-Benzo[G][1,2,4]triazolo[1,2-B]phthalazine-8,8,9,9-tetracarbonitrile, 2,3,5,7,10,12-hexahydro-1,3-dioxo-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.128722749 u |
| Formula |
C24H15N7O2 |
| InChI |
InChI=1S/C24H15N7O2/c25-12-23(13-26)8-16-6-18-10-29-21(32)31(20-4-2-1-3-5-20)22(33)30(29)11-19(18)7-17(16)9-24(23,14-27)15-28/h1-7H,8-11H2 |
| InChIKey |
UDSNMEZBIGQGBH-UHFFFAOYSA-N |
| Molecular Weight |
433.431 g/mol |
| SMILES |
C1(N(C(N2CC=3C=C4CC(C(CC4=CC3CN12)(C#N)C#N)(C#N)C#N)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940453 |
![1H-Benzo[g][1,2,4]triazolo[1,2-b]phthalazine-8,8,9,9-tetracarbonitrile, 2,3,5,7,10,12-hexahydro-1,3-dioxo-2-phenyl-](/api/spectrum/2CLczKfmaTX/structure.png?h=300&w=458 "1H-Benzo[g][1,2,4]triazolo[1,2-b]phthalazine-8,8,9,9-tetracarbonitrile, 2,3,5,7,10,12-hexahydro-1,3-dioxo-2-phenyl-")
